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Materials Science and Technology Division

Materials Theory, Modeling and Simulation Section

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- Materials Theory
- Microstructural Evolution Modeling

Publications

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2023 (52)
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Angular-Momentum Transfer Mediated by a Vibronic-Bound-State...

Journal: Advanced Science

November, 2023

Remarkable heat conduction mediated by non-equilibrium phonon polaritons

Journal: Nature

November, 2023

Vibrations and Phase Stability in Mixed Valence Antimony Oxide

Journal: Inorganic Chemistry

October, 2023

Primitive to conventional geometry projection for efficient phonon transport calculations...

Journal: npj Computational Materials

October, 2023

Signature of spin-phonon coupling driven charge density wave in a kagome magnet

Journal: Nature Communications

October, 2023

Trends in electronic structures and s±-wave pairing for the rare-earth series in bilayer nickelate superconductor R3Ni2O7

Journal: Physical Review B

October, 2023

Spin wave Hamiltonian and anomalous scattering in NiPS3

Journal: Physical Review B

September, 2023

Majorana corner states on the dice lattice

Journal: Communications Physics

September, 2023

Evaluation of the excitation spectra with diffusion Monte Carlo on an auxiliary bosonic ground state

Journal: The Journal of Chemical Physics

September, 2023

The role of electron correlations in the electronic structure of putative Chern magnet TbMn6Sn6

Journal: npj Quantum Materials

September, 2023

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